CID 91736720

4'-methyl acetyl fentanyl

Structural Information

Molecular Formula
C22H28N2O
SMILES
CC1=CC=C(C=C1)CCN2CCC(CC2)N(C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C22H28N2O/c1-18-8-10-20(11-9-18)12-15-23-16-13-22(14-17-23)24(19(2)25)21-6-4-3-5-7-21/h3-11,22H,12-17H2,1-2H3
InChIKey
BBMRIHXVAUNKEV-UHFFFAOYSA-N
Compound name
N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

336.22015 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.227426 184.3
[M+Na]+ 359.209368 186.6
[M-H]- 335.212874 192.2
[M+NH4]+ 354.253973 195.9
[M+K]+ 375.183308 182.4
[M+H-H2O]+ 319.217410 173.3
[M+HCOO]- 381.218351 202.4
[M+CH3COO]- 395.234001 217.4
[M+Na-2H]- 357.194816 184.6
[M]+ 336.21960142 180.8
[M]- 336.22069858 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe